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Computer-aided blended extractant design and screening for co-extracting phenolic, polycyclic aromatic hydrocarbons and nitrogen heterocyclic compounds pollutants from coal chemical wastewater
Xu, Ran1,3; Zhao, Yue-Hong1,2,3; Han, Qing-Zhen1,2; Ning, Peng-Ge1; Cao, Hong-Bin1; Wen, Hao1,2
2020-12-20
Source PublicationJOURNAL OF CLEANER PRODUCTION
ISSN0959-6526
Volume277Pages:13
AbstractAn innovative design and screening methodology of blended extractants was proposed, for co-extracting phenolic, polycyclic aromatic hydrocarbons (PAHs) and nitrogen heterocyclic compounds (NHCs) pollutants from coal chemical wastewater. The methodology includes two major issues, generating single-component candidate extractants and screening optimal binary extractants. In this work, two singlecomponent extractant candidate sets, which present the potential to be good extractants of phenolic and PAHs/NHCs pollutants respectively, were generated by data searching of the Existing Commercial Compound Database (ECCD). The binary extractant candidate set was generated by traversal inter-combination between these two single-component candidate sets. To screen the target blended extractants from the generated candidates, a series of non-linear programming (NLP) models were set up and solved via special tailored strategy. Pseudo-component was introduced to represent various pollutants in coal chemical wastewater which reducing the size and complexity of NLP problems. Miscibility constraints of blended extractants and grid parallel computing method were adopted to reduce the time cost. Case study showed that the selected binary extractants can achieve co-extracting phenolic and PAHs/NHCs pollutants. It will benefit the sustainable development of coal chemical industry in China. (C) 2020 Elsevier Ltd. All rights reserved.
KeywordComputer aided molecular design Blended extractant Co-extraction Coal chemical wastewater Design and screen
DOI10.1016/j.jclepro.2020.122334
Language英语
WOS KeywordLIQUID-LIQUID EQUILIBRIA ; MOLECULAR DESIGN ; OPTIMIZATION APPROACH ; SOLVENT SELECTION ; RECOVERY PROCESS ; PLANT ; GENERATION ; MIXTURES ; REMOVAL ; KETONE
Funding ProjectNational water pollution control, control scientific and technological special project[2017ZX07402001] ; Natural Science Foundation of China[2156112001] ; National Scientific Data Sharing Service Project[DKA2017-12-02-05]
WOS Research AreaScience & Technology - Other Topics ; Engineering ; Environmental Sciences & Ecology
WOS SubjectGreen & Sustainable Science & Technology ; Engineering, Environmental ; Environmental Sciences
Funding OrganizationNational water pollution control, control scientific and technological special project ; Natural Science Foundation of China ; National Scientific Data Sharing Service Project
WOS IDWOS:000586917600006
PublisherELSEVIER SCI LTD
Citation statistics
Cited Times:1[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.ipe.ac.cn/handle/122111/42662
Collection中国科学院过程工程研究所
Corresponding AuthorZhao, Yue-Hong
Affiliation1.Chinese Acad Sci, Inst Proc Engn, Div Environm Technol & Engn, 1,2nd North St, Beijing 100190, Peoples R China
2.Chinese Acad Sci, Inst Proc Engn, State Key Lab Multiphase Complex Syst, 1,2nd North St, Beijing 100190, Peoples R China
3.Univ Chinese Acad Sci, Beijing 100049, Peoples R China
Recommended Citation
GB/T 7714
Xu, Ran,Zhao, Yue-Hong,Han, Qing-Zhen,et al. Computer-aided blended extractant design and screening for co-extracting phenolic, polycyclic aromatic hydrocarbons and nitrogen heterocyclic compounds pollutants from coal chemical wastewater[J]. JOURNAL OF CLEANER PRODUCTION,2020,277:13.
APA Xu, Ran,Zhao, Yue-Hong,Han, Qing-Zhen,Ning, Peng-Ge,Cao, Hong-Bin,&Wen, Hao.(2020).Computer-aided blended extractant design and screening for co-extracting phenolic, polycyclic aromatic hydrocarbons and nitrogen heterocyclic compounds pollutants from coal chemical wastewater.JOURNAL OF CLEANER PRODUCTION,277,13.
MLA Xu, Ran,et al."Computer-aided blended extractant design and screening for co-extracting phenolic, polycyclic aromatic hydrocarbons and nitrogen heterocyclic compounds pollutants from coal chemical wastewater".JOURNAL OF CLEANER PRODUCTION 277(2020):13.
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